Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules

Hochan Song; Hak Beom Kim; Seong Chan Cho; Jeongjae Lee; Jonghee Yang; Woo Hyeon Jeong; Ji Yeon Won; Hong In Jeong; Jiwoo Yeop; Jin Young Kim; Benjamin J. Lawrie; Mahshid Ahmadi; Bo Ram Lee; Minjin Kim; Seung Ju Choi; Dong Suk Kim; Minjae Lee; Sang Uck Lee; Yimhyun Jo; Hyosung Choi

doi:10.1016/j.joule.2024.05.019

Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules

Hochan Song, Hak Beom Kim, Seong Chan Cho, Jeongjae Lee, Jonghee Yang, Woo Hyeon Jeong, Ji Yeon Won, Hong In Jeong, Jiwoo Yeop, Jin Young Kim, Benjamin J. Lawrie, Mahshid Ahmadi, Bo Ram Lee, Minjin Kim, Seung Ju Choi, Dong Suk Kim, Minjae Lee, Sang Uck Lee, Yimhyun Jo, Hyosung Choi

Quantum Heterostructures

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

In this work, we reveal the role of non-covalent interactions, which are known to play important roles in supramolecular phenomena, in achieving efficient perovskite surface and grain boundary passivation. By using a series of pseudohalides, we find that trifluoroacetate (TFA⁻) provides the strongest binding to iodide vacancies by means of non-covalent hydrogen bonding and dispersion interactions. By exploiting additional non-covalent dispersion and hydrophobic interactions in aromatic 3,3-diphenylpropylammonium (DPA⁺), we present a dual-ion passivation strategy that not only minimizes the non-radiative recombination center and local chemical inhomogeneities but also induces preferentially oriented growth of α-FAPbI₃ lattice. This leads to an outstanding power conversion efficiency (PCE) of 25.63% with an exceptional open-circuit voltage of 1.191 V in a perovskite solar cell with a small area, while perovskite solar mini modules with aperture areas of 25 and 64 cm² achieved PCE of 22.47% (quasi-steady-state [QSS]-certified 20.50%) and 20.88%, respectively, with outstanding stability under high-humidity conditions.

Original language	English
Pages (from-to)	2283-2303
Number of pages	21
Journal	Joule
Volume	8
Issue number	8
DOIs	https://doi.org/10.1016/j.joule.2024.05.019
State	Published - Aug 21 2024

Funding

This research was supported by the Nano\u00B7Material Technology Development Program through the National Research Foundation of Korea (NRF), funded by the Ministry of Science and ICT (NRF-2021M3H4A1A02049634 and NRF-2022R1A2C1002764). This research was supported by the BrainLink program funded by the Ministry of Science of ICT through the National Research Foundation of Korea (NRF-2022H1D3A3A01077343). This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF), funded by the Ministry of Education (RS-2023-00276169). This work was supported by the Basic Science Research Program of the National Research Foundation of Korea (NRF-2021R1A2B5B01002879). Y.J. acknowledges support from the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF), funded by the Ministry of Science, ICT & Future Planning (2020M1A2A2080746) and the Development Program of the Korea Institute of Energy Research (KIER) (C4-2414 and C4-2460). J.Yang and M.A. acknowledge support from the National Science Foundation (NSF), award no. 2043205, and the Alfred P. Sloan Foundation (award no. FG-2022-18275). The CL microscopy was supported by the Center for Nanophase Materials Sciences (CNMS) user facility, project CNMS2022-A-01171, which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory. Solid-state NMR measurements were conducted at the KBSI Western Seoul Center 9.4 T magnet. We thank Dr Young Joo Lee and Dokyung Kim for helping with NMR measurements. H.S. and H.C. initially conceptualized the work. H.-B.K. H.S. and J.Y.W. prepared the samples and conducted device fabrications and general characterizations. H.-B.K. and D.S.K. fabricated PSC mini modules. M.L. synthesized the DPA-X\u2217 salt. S.C.C. and S.U.L. contributed to computational calculations. W.H.J. and B.R.L. conducted steady-state PL and TRPL measurements. J.L. analyzed NMR spectroscopic data. J. Yeop and J.Y.K. carried out GIWAXS measurements. J. Yang, B.J.L. and M.A. conducted hyperspectral CL microscopy. M.K. and S.J.C. collected the light-intensity-dependent J-V data. H.S. wrote the draft with help from H.-B.K. J. Yang, W.H.J. and H.I.J. H.S. J. Yang, J.L. and H.C. revised and prepared the manuscript. M.L. S.U.L. Y.J. and H.C. supervised the project. All authors contributed to discussions and the preparation of the manuscript. The authors declare no competing interests. This research was supported by the Nano\u00B7Material Technology Development Program through the National Research Foundation of Korea (NRF), funded by the Ministry of Science and ICT ( NRF-2021M3H4A1A02049634 ). This research was supported by the BrainLink program funded by the Ministry of Science of ICT through the National Research Foundation of Korea ( NRF-2022H1D3A3A01077343 ). This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF), funded by the Ministry of Education ( RS-2023-00276169 ). This work was supported by the Basic Science Research Program of the National Research Foundation of Korea ( NRF-2021R1A2B5B01002879 ). Y.J. acknowledges support from the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF), funded by the Ministry of Science, ICT & Future Planning ( 2020M1A2A2080746 ) and the Development Program of the Korea Institute of Energy Research (KIER) ( C3-2403 and C3-2477 ). J.Y. and M.A. acknowledge support from the National Science Foundation (NSF) , award no. 2043205 , and the Alfred P. Sloan Foundation (award no. FG-2022-18275 ). The CL microscopy was supported by the Center for Nanophase Materials Sciences (CNMS) user facility, project CNMS2022-A-01171 , which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory. Solid-state NMR measurements were conducted at the KBSI Western Seoul Center 9.4 T magnet. We thank Dr Young Joo Lee and Dokyung Kim for helping with NMR measurements.

Keywords

FAPbI3 perovskite
defect passivation
large-area
local homogeneity
non-covalent interaction
perovskite solar cells
perovskite solar modules
pseudohalides
supramolecular interaction
trifluoroacetate

Access to Document

10.1016/j.joule.2024.05.019

Cite this

Song, H., Kim, H. B., Cho, S. C., Lee, J., Yang, J., Jeong, W. H., Won, J. Y., Jeong, H. I., Yeop, J., Kim, J. Y., Lawrie, B. J., Ahmadi, M., Lee, B. R., Kim, M., Choi, S. J., Kim, D. S., Lee, M., Lee, S. U., Jo, Y., & Choi, H. (2024). Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules. Joule, 8(8), 2283-2303. https://doi.org/10.1016/j.joule.2024.05.019

@article{1d50742bbe584b0aa60cb51d695d8b61,

title = "Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules",

abstract = "In this work, we reveal the role of non-covalent interactions, which are known to play important roles in supramolecular phenomena, in achieving efficient perovskite surface and grain boundary passivation. By using a series of pseudohalides, we find that trifluoroacetate (TFA−) provides the strongest binding to iodide vacancies by means of non-covalent hydrogen bonding and dispersion interactions. By exploiting additional non-covalent dispersion and hydrophobic interactions in aromatic 3,3-diphenylpropylammonium (DPA+), we present a dual-ion passivation strategy that not only minimizes the non-radiative recombination center and local chemical inhomogeneities but also induces preferentially oriented growth of α-FAPbI3 lattice. This leads to an outstanding power conversion efficiency (PCE) of 25.63% with an exceptional open-circuit voltage of 1.191 V in a perovskite solar cell with a small area, while perovskite solar mini modules with aperture areas of 25 and 64 cm2 achieved PCE of 22.47% (quasi-steady-state [QSS]-certified 20.50%) and 20.88%, respectively, with outstanding stability under high-humidity conditions.",

keywords = "FAPbI3 perovskite, defect passivation, large-area, local homogeneity, non-covalent interaction, perovskite solar cells, perovskite solar modules, pseudohalides, supramolecular interaction, trifluoroacetate",

author = "Hochan Song and Kim, {Hak Beom} and Cho, {Seong Chan} and Jeongjae Lee and Jonghee Yang and Jeong, {Woo Hyeon} and Won, {Ji Yeon} and Jeong, {Hong In} and Jiwoo Yeop and Kim, {Jin Young} and Lawrie, {Benjamin J.} and Mahshid Ahmadi and Lee, {Bo Ram} and Minjin Kim and Choi, {Seung Ju} and Kim, {Dong Suk} and Minjae Lee and Lee, {Sang Uck} and Yimhyun Jo and Hyosung Choi",

note = "Publisher Copyright: {\textcopyright} 2024 Elsevier Inc.",

year = "2024",

month = aug,

day = "21",

doi = "10.1016/j.joule.2024.05.019",

language = "English",

volume = "8",

pages = "2283--2303",

journal = "Joule",

issn = "2542-4351",

publisher = "Elsevier",

number = "8",

}

Song, H, Kim, HB, Cho, SC, Lee, J, Yang, J, Jeong, WH, Won, JY, Jeong, HI, Yeop, J, Kim, JY, Lawrie, BJ, Ahmadi, M, Lee, BR, Kim, M, Choi, SJ, Kim, DS, Lee, M, Lee, SU, Jo, Y & Choi, H 2024, 'Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules', Joule, vol. 8, no. 8, pp. 2283-2303. https://doi.org/10.1016/j.joule.2024.05.019

TY - JOUR

T1 - Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules

AU - Song, Hochan

AU - Kim, Hak Beom

AU - Cho, Seong Chan

AU - Lee, Jeongjae

AU - Yang, Jonghee

AU - Jeong, Woo Hyeon

AU - Won, Ji Yeon

AU - Jeong, Hong In

AU - Yeop, Jiwoo

AU - Kim, Jin Young

AU - Lawrie, Benjamin J.

AU - Ahmadi, Mahshid

AU - Lee, Bo Ram

AU - Kim, Minjin

AU - Choi, Seung Ju

AU - Kim, Dong Suk

AU - Lee, Minjae

AU - Lee, Sang Uck

AU - Jo, Yimhyun

AU - Choi, Hyosung

PY - 2024/8/21

Y1 - 2024/8/21

N2 - In this work, we reveal the role of non-covalent interactions, which are known to play important roles in supramolecular phenomena, in achieving efficient perovskite surface and grain boundary passivation. By using a series of pseudohalides, we find that trifluoroacetate (TFA−) provides the strongest binding to iodide vacancies by means of non-covalent hydrogen bonding and dispersion interactions. By exploiting additional non-covalent dispersion and hydrophobic interactions in aromatic 3,3-diphenylpropylammonium (DPA+), we present a dual-ion passivation strategy that not only minimizes the non-radiative recombination center and local chemical inhomogeneities but also induces preferentially oriented growth of α-FAPbI3 lattice. This leads to an outstanding power conversion efficiency (PCE) of 25.63% with an exceptional open-circuit voltage of 1.191 V in a perovskite solar cell with a small area, while perovskite solar mini modules with aperture areas of 25 and 64 cm2 achieved PCE of 22.47% (quasi-steady-state [QSS]-certified 20.50%) and 20.88%, respectively, with outstanding stability under high-humidity conditions.

AB - In this work, we reveal the role of non-covalent interactions, which are known to play important roles in supramolecular phenomena, in achieving efficient perovskite surface and grain boundary passivation. By using a series of pseudohalides, we find that trifluoroacetate (TFA−) provides the strongest binding to iodide vacancies by means of non-covalent hydrogen bonding and dispersion interactions. By exploiting additional non-covalent dispersion and hydrophobic interactions in aromatic 3,3-diphenylpropylammonium (DPA+), we present a dual-ion passivation strategy that not only minimizes the non-radiative recombination center and local chemical inhomogeneities but also induces preferentially oriented growth of α-FAPbI3 lattice. This leads to an outstanding power conversion efficiency (PCE) of 25.63% with an exceptional open-circuit voltage of 1.191 V in a perovskite solar cell with a small area, while perovskite solar mini modules with aperture areas of 25 and 64 cm2 achieved PCE of 22.47% (quasi-steady-state [QSS]-certified 20.50%) and 20.88%, respectively, with outstanding stability under high-humidity conditions.

KW - FAPbI3 perovskite

KW - defect passivation

KW - large-area

KW - local homogeneity

KW - non-covalent interaction

KW - perovskite solar cells

KW - perovskite solar modules

KW - pseudohalides

KW - supramolecular interaction

KW - trifluoroacetate

UR - http://www.scopus.com/inward/record.url?scp=85198168940&partnerID=8YFLogxK

U2 - 10.1016/j.joule.2024.05.019

DO - 10.1016/j.joule.2024.05.019

M3 - Article

AN - SCOPUS:85198168940

SN - 2542-4351

VL - 8

SP - 2283

EP - 2303

JO - Joule

JF - Joule

IS - 8

ER -

Supramolecular design principles in pseudohalides for high-performance perovskite solar mini modules

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this